6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine

C51H33N5 — CID 176819218

About 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine

6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine (PubChem CID 176819218) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine.

Molecular Properties

• Compound Name: 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
• PubChem CID: 176819218
• Molecular Formula: C51H33N5
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.27
• IUPAC Name: 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6ccc(-c7nc8ccccc8c8ccccc78)nc6)cc5)c4)n3)cc2)cc1
• InChI: InChI=1S/C51H33N5/c1-3-12-34(13-4-1)35-26-28-39(29-27-35)50-54-49(38-14-5-2-6-15-38)55-51(56-50)41-17-11-16-40(32-41)36-22-24-37(25-23-36)42-30-31-47(52-33-42)48-45-20-8-7-18-43(45)44-19-9-10-21-46(44)53-48/h1-33H
• InChIKey: BRIWHKHRQOGGKH-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine?

The IUPAC name of 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine (CID 176819218) is 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine.

What is the SMILES notation for 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine?

The canonical SMILES for 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6ccc(-c7nc8ccccc8c8ccccc78)nc6)cc5)c4)n3)cc2)cc1.

What is the InChIKey of 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine?

The InChIKey is BRIWHKHRQOGGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-12-34(13-4-1)35-26-28-39(29-27-35)50-54-49(38-14-5-2-6-15-38)55-51(56-50)41-17-11-16-40(32-41)36-22-24-37(25-23-36)42-30-31-47(52-33-42)48-45-20-8-7-18-43(45)44-19-9-10-21-46(44)53-48/h1-33H.

What are the key properties of 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine?

6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine has a molecular weight of 715.86 g/mol, XLogP of 12.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176819218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).